[(2R,3R,4R,6S)-6-methoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3R,4R,6S)-6-methoxy-2-methyl-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate Openeye Name: [(2R,3R,4R,6S)-3-hydroxy-6-methoxy-2-methyl-tetrahydropyran-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R,4R,6S)-3-hydroxy-6-methoxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,6S)-3-hydroxy-6-methoxy-2-methyloxan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3R,4R,6S)-3-hydroxy-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO7/c1-8-13(16)11(7-12(20-2)21-8)22-14(17)9-3-5-10(6-4-9)15(18)19/h3-6,8,11-13,16H,7H2,1-2H3/t8-,11-,12+,13-/m1/s1